SCHEMBL8840977

SCHEMBL8840977

Cc1ccc(-n2nc3c(cc2=O)CCCc2sccc2-3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
HRH3 Q9Y5N1 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34
PABPC1 P11940 1/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
SRC P12931 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
PTGS2 P35354 1/20 0.33
CA4 P22748 1/20 0.33
CA9 Q16790 1/20 0.33
POLB P06746 1/20 0.32
ESR1 P03372 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8840950 0.93 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL8840984 0.88 LMNA (0.40) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL8841006 0.87 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTHRH3
SCHEMBL8840966 0.82 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL8840955 0.81 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL8840991 0.80 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL8841015 0.79 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL8840968 0.78 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL10366783 0.77 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL9738308 0.76 LMNA (0.38) ALDH1A1MEN1KMT2AKDM4EMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5597918-A ANXIOLYTIC AGENTS, SIDE EFFECT REDUCTION YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-01-28 US disclosed